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BDBM46848 1-cyclohexyl-3-(3-methylbenzyl)-2,5-pyrrolidinedione::1-cyclohexyl-3-(3-methylbenzyl)pyrrolidine-2,5-quinone::1-cyclohexyl-3-[(3-methylphenyl)methyl]pyrrolidine-2,5-dione::MLS000099881::SMR000080984::cid_2972321

SMILES: Cc1cccc(CC2CC(=O)N(C3CCCCC3)C2=O)c1

InChI Key: InChIKey=YSETTXKTZRIJTR-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 46848   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
transient receptor potential cation channel, subfamily N, member 1


(Danio rerio)
BDBM46848
PNG
(1-cyclohexyl-3-(3-methylbenzyl)-2,5-pyrrolidinedio...)
Show SMILES Cc1cccc(CC2CC(=O)N(C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C18H23NO2/c1-13-6-5-7-14(10-13)11-15-12-17(20)19(18(15)21)16-8-3-2-4-9-16/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Z60MG3
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM46848
PNG
(1-cyclohexyl-3-(3-methylbenzyl)-2,5-pyrrolidinedio...)
Show SMILES Cc1cccc(CC2CC(=O)N(C3CCCCC3)C2=O)c1
Show InChI InChI=1S/C18H23NO2/c1-13-6-5-7-14(10-13)11-15-12-17(20)19(18(15)21)16-8-3-2-4-9-16/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.41E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair